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1,3-Di-tert-butylbenzene

View entire compound with spectra: 3 NMR, 2 FTIR, and 8 MS (GC)

1,3-Di-tert-butylbenzene
SpectraBase Compound ID 1BPVMxjOcJh
InChI InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
InChIKey ILNDSSCEZZFNGE-UHFFFAOYSA-N
Mol Weight 190.33 g/mol
Molecular Formula C14H22
Exact Mass 190.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bmkn1WWgWh
Name 1,3-Di-tert-butylbenzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 272051
CAS Registry Number 1014-60-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
InChIKey ILNDSSCEZZFNGE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004943